[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C15H11ClFNO4S — CID 9270646

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H11ClFNO4S/c16-13-6-5-12(23-13)11(19)8-22-14(20)7-18-15(21)9-3-1-2-4-10(9)17/h1-6H,7-8H2,(H,18,21)
InChIKeyCJHFUMQDHTVZJS-UHFFFAOYSA-N
MW355.77 g/mol
LogP2.70
Rot. Bonds6

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270646) has the molecular formula C15H11ClFNO4S and a molecular weight of 355.77 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270646
Molecular FormulaC15H11ClFNO4S
Molecular Weight355.77 g/mol
Exact Mass355.01
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H11ClFNO4S/c16-13-6-5-12(23-13)11(19)8-22-14(20)7-18-15(21)9-3-1-2-4-10(9)17/h1-6H,7-8H2,(H,18,21)
InChIKeyCJHFUMQDHTVZJS-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270646) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is CJHFUMQDHTVZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO4S/c16-13-6-5-12(23-13)11(19)8-22-14(20)7-18-15(21)9-3-1-2-4-10(9)17/h1-6H,7-8H2,(H,18,21).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 355.77 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).